JOURNAL OF MATHEMATICAL CHEMISTRY, vol.40, no.2, pp.179-183, 2006 (Peer-Reviewed Journal)
Article / Article
JOURNAL OF MATHEMATICAL CHEMISTRY
Science Citation Index Expanded, Scopus
The analytical relations for Boys function F-m (x) are presented. These relations are useful in the fast and more accurate calculations of multicenter molecular integrals over Gaussian type orbitals (GTOs). The formulas obtained are numerically stable for all values of m and x.